Run 2x1 | Number processes: 2Number nodes: 1Run Command: <executable> -x 100 -y 100 -z 100 --xproc=2 --yproc=1 --zproc=1MPI Command: mpirun -n <number_processes> Dataset: Run Directory: /beegfs/hackathon/users/eoseret/qaas_runs_CPU_8360Y/174-411-9946/intel/CoMD/run/oneview_runs/multicore/gcc/oneview_run_1744122752OMP_NUM_THREADS: 1I_MPI_PIN_ORDER: bunchOMP_DISPLAY_AFFINITY: TRUEOMP_PROC_BIND: spreadOMP_AFFINITY_FORMAT: 'OMP: pid %P tid %i thread %n bound to OS proc set {%A}'OMP_DISPLAY_ENV: TRUEI_MPI_PIN_DOMAIN: autoI_MPI_DEBUG: 4OMP_PLACES: threads |
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Run 2x2 | Number processes: 2Number nodes: 1Run Command: <executable> -x 100 -y 100 -z 100 --xproc=2 --yproc=1 --zproc=1MPI Command: mpirun -n <number_processes> Dataset: Run Directory: /beegfs/hackathon/users/eoseret/qaas_runs_CPU_8360Y/174-411-9946/intel/CoMD/run/oneview_runs/multicore/gcc/oneview_run_1744122752OMP_NUM_THREADS: 2I_MPI_PIN_ORDER: bunchOMP_DISPLAY_AFFINITY: TRUEOMP_PROC_BIND: spreadOMP_AFFINITY_FORMAT: 'OMP: pid %P tid %i thread %n bound to OS proc set {%A}'OMP_DISPLAY_ENV: TRUEI_MPI_PIN_DOMAIN: autoI_MPI_DEBUG: 4OMP_PLACES: threads |
Run 2x4 | Number processes: 2Number nodes: 1Run Command: <executable> -x 100 -y 100 -z 100 --xproc=2 --yproc=1 --zproc=1MPI Command: mpirun -n <number_processes> Dataset: Run Directory: /beegfs/hackathon/users/eoseret/qaas_runs_CPU_8360Y/174-411-9946/intel/CoMD/run/oneview_runs/multicore/gcc/oneview_run_1744122752OMP_NUM_THREADS: 4I_MPI_PIN_ORDER: bunchOMP_DISPLAY_AFFINITY: TRUEOMP_PROC_BIND: spreadOMP_AFFINITY_FORMAT: 'OMP: pid %P tid %i thread %n bound to OS proc set {%A}'OMP_DISPLAY_ENV: TRUEI_MPI_PIN_DOMAIN: autoI_MPI_DEBUG: 4OMP_PLACES: threads |
Run 2x8 | Number processes: 2Number nodes: 1Run Command: <executable> -x 100 -y 100 -z 100 --xproc=2 --yproc=1 --zproc=1MPI Command: mpirun -n <number_processes> Dataset: Run Directory: /beegfs/hackathon/users/eoseret/qaas_runs_CPU_8360Y/174-411-9946/intel/CoMD/run/oneview_runs/multicore/gcc/oneview_run_1744122752OMP_NUM_THREADS: 8I_MPI_PIN_ORDER: bunchOMP_DISPLAY_AFFINITY: TRUEOMP_PROC_BIND: spreadOMP_AFFINITY_FORMAT: 'OMP: pid %P tid %i thread %n bound to OS proc set {%A}'OMP_DISPLAY_ENV: TRUEI_MPI_PIN_DOMAIN: autoI_MPI_DEBUG: 4OMP_PLACES: threads |
Run 2x16 | Number processes: 2Number nodes: 1Run Command: <executable> -x 100 -y 100 -z 100 --xproc=2 --yproc=1 --zproc=1MPI Command: mpirun -n <number_processes> Dataset: Run Directory: /beegfs/hackathon/users/eoseret/qaas_runs_CPU_8360Y/174-411-9946/intel/CoMD/run/oneview_runs/multicore/gcc/oneview_run_1744122752OMP_NUM_THREADS: 16I_MPI_PIN_ORDER: bunchOMP_DISPLAY_AFFINITY: TRUEOMP_PROC_BIND: spreadOMP_AFFINITY_FORMAT: 'OMP: pid %P tid %i thread %n bound to OS proc set {%A}'OMP_DISPLAY_ENV: TRUEI_MPI_PIN_DOMAIN: autoI_MPI_DEBUG: 4OMP_PLACES: threads |
Run 2x18 | Number processes: 2Number nodes: 1Run Command: <executable> -x 100 -y 100 -z 100 --xproc=2 --yproc=1 --zproc=1MPI Command: mpirun -n <number_processes> Dataset: Run Directory: /beegfs/hackathon/users/eoseret/qaas_runs_CPU_8360Y/174-411-9946/intel/CoMD/run/oneview_runs/multicore/gcc/oneview_run_1744122752OMP_NUM_THREADS: 18I_MPI_PIN_ORDER: bunchOMP_DISPLAY_AFFINITY: TRUEOMP_PROC_BIND: spreadOMP_AFFINITY_FORMAT: 'OMP: pid %P tid %i thread %n bound to OS proc set {%A}'OMP_DISPLAY_ENV: TRUEI_MPI_PIN_DOMAIN: autoI_MPI_DEBUG: 4OMP_PLACES: threads |
Run 2x24 | Number processes: 2Number nodes: 1Run Command: <executable> -x 100 -y 100 -z 100 --xproc=2 --yproc=1 --zproc=1MPI Command: mpirun -n <number_processes> Dataset: Run Directory: /beegfs/hackathon/users/eoseret/qaas_runs_CPU_8360Y/174-411-9946/intel/CoMD/run/oneview_runs/multicore/gcc/oneview_run_1744122752OMP_NUM_THREADS: 24I_MPI_PIN_ORDER: bunchOMP_DISPLAY_AFFINITY: TRUEOMP_PROC_BIND: spreadOMP_AFFINITY_FORMAT: 'OMP: pid %P tid %i thread %n bound to OS proc set {%A}'OMP_DISPLAY_ENV: TRUEI_MPI_PIN_DOMAIN: autoI_MPI_DEBUG: 4OMP_PLACES: threads |
Run 2x32 | Number processes: 2Number nodes: 1Run Command: <executable> -x 100 -y 100 -z 100 --xproc=2 --yproc=1 --zproc=1MPI Command: mpirun -n <number_processes> Dataset: Run Directory: /beegfs/hackathon/users/eoseret/qaas_runs_CPU_8360Y/174-411-9946/intel/CoMD/run/oneview_runs/multicore/gcc/oneview_run_1744122752OMP_NUM_THREADS: 32I_MPI_PIN_ORDER: bunchOMP_DISPLAY_AFFINITY: TRUEOMP_PROC_BIND: spreadOMP_AFFINITY_FORMAT: 'OMP: pid %P tid %i thread %n bound to OS proc set {%A}'OMP_DISPLAY_ENV: TRUEI_MPI_PIN_DOMAIN: autoI_MPI_DEBUG: 4OMP_PLACES: threads |
Run 2x36 | Number processes: 2Number nodes: 1Run Command: <executable> -x 100 -y 100 -z 100 --xproc=2 --yproc=1 --zproc=1MPI Command: mpirun -n <number_processes> Dataset: Run Directory: /beegfs/hackathon/users/eoseret/qaas_runs_CPU_8360Y/174-411-9946/intel/CoMD/run/oneview_runs/multicore/gcc/oneview_run_1744122752OMP_NUM_THREADS: 36I_MPI_PIN_ORDER: bunchOMP_DISPLAY_AFFINITY: TRUEOMP_PROC_BIND: spreadOMP_AFFINITY_FORMAT: 'OMP: pid %P tid %i thread %n bound to OS proc set {%A}'OMP_DISPLAY_ENV: TRUEI_MPI_PIN_DOMAIN: autoI_MPI_DEBUG: 4OMP_PLACES: threads |
Loop id | Source Location | Source Function | Level | Exclusive Coverage 2x1 (%) | Exclusive Coverage 2x2 (%) | Exclusive Coverage 2x4 (%) | Exclusive Coverage 2x8 (%) | Exclusive Coverage 2x16 (%) | Exclusive Coverage 2x18 (%) | Exclusive Coverage 2x24 (%) | Exclusive Coverage 2x32 (%) | Exclusive Coverage 2x36 (%) | Inclusive Coverage 2x1 (%) | Inclusive Coverage 2x2 (%) | Inclusive Coverage 2x4 (%) | Inclusive Coverage 2x8 (%) | Inclusive Coverage 2x16 (%) | Inclusive Coverage 2x18 (%) | Inclusive Coverage 2x24 (%) | Inclusive Coverage 2x32 (%) | Inclusive Coverage 2x36 (%) | Max Exclusive Time Over Threads 2x1 (s) | Max Exclusive Time Over Threads 2x2 (s) | Max Exclusive Time Over Threads 2x4 (s) | Max Exclusive Time Over Threads 2x8 (s) | Max Exclusive Time Over Threads 2x16 (s) | Max Exclusive Time Over Threads 2x18 (s) | Max Exclusive Time Over Threads 2x24 (s) | Max Exclusive Time Over Threads 2x32 (s) | Max Exclusive Time Over Threads 2x36 (s) | Max Inclusive Time Over Threads 2x1 (s) | Max Inclusive Time Over Threads 2x2 (s) | Max Inclusive Time Over Threads 2x4 (s) | Max Inclusive Time Over Threads 2x8 (s) | Max Inclusive Time Over Threads 2x16 (s) | Max Inclusive Time Over Threads 2x18 (s) | Max Inclusive Time Over Threads 2x24 (s) | Max Inclusive Time Over Threads 2x32 (s) | Max Inclusive Time Over Threads 2x36 (s) | Exclusive Time w.r.t. Wall Time 2x1 (s) | Exclusive Time w.r.t. Wall Time 2x2 (s) | Exclusive Time w.r.t. Wall Time 2x4 (s) | Exclusive Time w.r.t. Wall Time 2x8 (s) | Exclusive Time w.r.t. Wall Time 2x16 (s) | Exclusive Time w.r.t. Wall Time 2x18 (s) | Exclusive Time w.r.t. Wall Time 2x24 (s) | Exclusive Time w.r.t. Wall Time 2x32 (s) | Exclusive Time w.r.t. Wall Time 2x36 (s) | Inclusive Time w.r.t. Wall Time 2x1 (s) | Inclusive Time w.r.t. Wall Time 2x2 (s) | Inclusive Time w.r.t. Wall Time 2x4 (s) | Inclusive Time w.r.t. Wall Time 2x8 (s) | Inclusive Time w.r.t. Wall Time 2x16 (s) | Inclusive Time w.r.t. Wall Time 2x18 (s) | Inclusive Time w.r.t. Wall Time 2x24 (s) | Inclusive Time w.r.t. Wall Time 2x32 (s) | Inclusive Time w.r.t. Wall Time 2x36 (s) | Nb Threads 2x1 | Nb Threads 2x2 | Nb Threads 2x4 | Nb Threads 2x8 | Nb Threads 2x16 | Nb Threads 2x18 | Nb Threads 2x24 | Nb Threads 2x32 | Nb Threads 2x36 | GFLOPS 2x1 | GFLOPS 2x2 | GFLOPS 2x4 | GFLOPS 2x8 | GFLOPS 2x16 | GFLOPS 2x18 | GFLOPS 2x24 | GFLOPS 2x32 | GFLOPS 2x36 | Vectorization Ratio (%) | Vector Length Use (%) | Speedup If No Scalar Integer | Speedup If FP Vectorized | Speedup If Fully Vectorized | Speedup If Perfect Load Balancing 2x1 | Speedup If Perfect Load Balancing 2x2 | Speedup If Perfect Load Balancing 2x4 | Speedup If Perfect Load Balancing 2x8 | Speedup If Perfect Load Balancing 2x16 | Speedup If Perfect Load Balancing 2x18 | Speedup If Perfect Load Balancing 2x24 | Speedup If Perfect Load Balancing 2x32 | Speedup If Perfect Load Balancing 2x36 | Stride 0 | Stride 1 | Stride n | Stride Unknown | Stride Indirect | (2x1) Efficiency | (2x1) Potential Speed-Up (%) | (2x2) Efficiency | (2x2) Potential Speed-Up (%) | (2x4) Efficiency | (2x4) Potential Speed-Up (%) | (2x8) Efficiency | (2x8) Potential Speed-Up (%) | (2x16) Efficiency | (2x16) Potential Speed-Up (%) | (2x18) Efficiency | (2x18) Potential Speed-Up (%) | (2x24) Efficiency | (2x24) Potential Speed-Up (%) | (2x32) Efficiency | (2x32) Potential Speed-Up (%) | (2x36) Efficiency | (2x36) Potential Speed-Up (%) |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
94 | exec - ljForce.c:191-216 [...] | ljForce._omp_fn.1 | Innermost | 81.11 | 80.74 | 80.25 | 78.60 | 75.56 | 74.93 | 73.01 | 71.43 | 70.30 | 81.11 | 80.74 | 80.25 | 78.60 | 75.56 | 74.93 | 73.01 | 71.43 | 70.30 | 256.81 | 128.66 | 64.64 | 32.46 | 16.42 | 14.94 | 12.03 | 10.19 | 9.61 | 256.81 | 128.66 | 64.64 | 32.46 | 16.42 | 14.94 | 12.03 | 10.19 | 9.61 | 256.70 | 129.49 | 66.34 | 34.62 | 18.59 | 17.04 | 13.68 | 11.17 | 10.47 | 256.70 | 129.49 | 66.34 | 34.62 | 18.59 | 17.04 | 13.68 | 11.17 | 10.47 | 2 | 4 | 8 | 16 | 32 | 36 | 48 | 64 | 72 | 7.77 | 15.42 | 30.09 | 57.65 | 107.40 | 117.13 | 145.96 | 178.61 | 190.65 | 6.06 | 13.26 | 1 | 2.34 | 6 | 1 | 1 | 1.01 | 1.01 | 1.02 | 1.04 | 1.09 | 1.12 | 1.15 | NA | NA | NA | NA | NA | 1 | 0 | 0.99 | 0.71 | 0.97 | 2.62 | 0.93 | 5.76 | 0.86 | 10.35 | 0.84 | 12.21 | 0.78 | 15.92 | 0.72 | 20.15 | 0.68 | 22.43 |
93 | exec - ljForce.c:187-216 [...] | ljForce._omp_fn.1 | InBetween | 13.56 | 13.55 | 13.47 | 13.43 | 12.91 | 12.77 | 12.54 | 12.27 | 12.15 | 94.67 | 94.30 | 93.72 | 92.03 | 88.46 | 87.70 | 85.55 | 83.70 | 82.45 | 42.97 | 21.69 | 11.08 | 5.68 | 2.98 | 2.77 | 2.22 | 1.87 | 1.74 | 299.57 | 149.76 | 75.14 | 37.89 | 19.14 | 17.31 | 13.89 | 11.68 | 11.03 | 42.90 | 21.74 | 11.13 | 5.91 | 3.18 | 2.90 | 2.35 | 1.92 | 1.81 | 299.61 | 151.22 | 77.48 | 40.54 | 21.77 | 19.94 | 16.03 | 13.09 | 12.28 | 2 | 4 | 8 | 16 | 32 | 36 | 48 | 64 | 72 | 7.66 | 15.10 | 29.49 | 55.47 | 103.15 | 113.09 | 139.63 | 170.97 | 181.18 | 7.14 | 13.13 | 1 | 2.33 | 6 | 1 | 1.01 | 1.03 | 1.04 | 1.09 | 1.14 | 1.17 | 1.2 | 1.21 | NA | NA | NA | NA | NA | 1 | 0 | 0.99 | 0.18 | 0.96 | 0.49 | 0.91 | 1.25 | 0.84 | 2.01 | 0.82 | 2.29 | 0.76 | 3 | 0.7 | 3.7 | 0.66 | 4.15 |
89 | exec - ljForce.c:161-161 [...] | ljForce._omp_fn.0 | Single | 0.84 | 0.87 | 0.97 | 1.21 | 1.84 | 1.94 | 2.33 | 2.72 | 2.74 | 0.84 | 0.87 | 0.97 | 1.21 | 1.84 | 1.94 | 2.33 | 2.72 | 2.74 | 2.66 | 1.39 | 0.82 | 0.52 | 0.44 | 0.44 | 0.40 | 0.43 | 0.39 | 2.66 | 1.39 | 0.82 | 0.52 | 0.44 | 0.44 | 0.40 | 0.43 | 0.39 | 2.65 | 1.40 | 0.80 | 0.53 | 0.45 | 0.44 | 0.44 | 0.43 | 0.41 | 2.65 | 1.40 | 0.80 | 0.53 | 0.45 | 0.44 | 0.44 | 0.43 | 0.41 | 2 | 4 | 8 | 16 | 32 | 36 | 48 | 64 | 72 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 100 | 50 | 1 | 1 | 1 | 1 | 1.01 | 1.05 | 1.05 | 1.12 | 1.19 | 1.13 | 1.23 | 1.2 | 0 | 1 | 2 | 0 | 0 | 1 | 0 | 0.95 | 0.05 | 0.82 | 0.17 | 0.62 | 0.46 | 0.37 | 1.17 | 0.33 | 1.29 | 0.25 | 1.74 | 0.19 | 2.19 | 0.18 | 2.25 |
84 | exec - linkCells.c:211-373 [...] | updateLinkCells | Innermost | 0.69 | 0.68 | 0.69 | 0.68 | 0.66 | 0.65 | 0.62 | 0.55 | 0.54 | 0.69 | 0.68 | 0.69 | 0.68 | 0.66 | 0.65 | 0.62 | 0.55 | 0.54 | 2.19 | 2.18 | 2.20 | 2.25 | 2.23 | 2.25 | 2.26 | 2.23 | 2.31 | 2.19 | 2.18 | 2.20 | 2.25 | 2.23 | 2.25 | 2.26 | 2.23 | 2.31 | 2.18 | 1.09 | 0.57 | 0.30 | 0.16 | 0.15 | 0.12 | 0.09 | 0.08 | 2.18 | 1.09 | 0.57 | 0.30 | 0.16 | 0.15 | 0.12 | 0.09 | 0.08 | 2 | 2 | 2 | 2 | 2 | 2 | 2 | 2 | 2 | 1.10 | 2.20 | 4.23 | 7.98 | 14.85 | 16.25 | 20.83 | 28.00 | 29.78 | 0 | 10 | 2.25 | 3.72 | 16 | 1 | 1.01 | 1 | 1.01 | 1 | 1.01 | 1.01 | 1 | 1.01 | NA | NA | NA | NA | NA | 1 | 0 | 1 | 0 | 0.96 | 0.03 | 0.91 | 0.06 | 0.85 | 0.1 | 0.82 | 0.12 | 0.79 | 0.13 | 0.8 | 0.11 | 0.76 | 0.13 |
61 | exec - haloExchange.c:621-628 | sortAtomsInCell | Single | 0.49 | 0.55 | 0.57 | 0.70 | 0.97 | 1.06 | 1.27 | 1.40 | 1.55 | 0.49 | 0.55 | 0.57 | 0.70 | 0.97 | 1.06 | 1.27 | 1.40 | 1.55 | 1.57 | 0.89 | 0.53 | 0.35 | 0.26 | 0.25 | 0.23 | 0.25 | 0.29 | 1.57 | 0.89 | 0.53 | 0.35 | 0.26 | 0.25 | 0.23 | 0.25 | 0.29 | 1.56 | 0.89 | 0.48 | 0.31 | 0.24 | 0.24 | 0.24 | 0.22 | 0.23 | 1.56 | 0.89 | 0.48 | 0.31 | 0.24 | 0.24 | 0.24 | 0.22 | 0.23 | 2 | 4 | 8 | 16 | 32 | 36 | 48 | 64 | 72 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 21.62 | 13.91 | 1.16 | 1 | 4.14 | 1 | 1.02 | 1.16 | 1.23 | 1.26 | 1.23 | 1.22 | 1.43 | 1.58 | 1 | 4 | 2 | 0 | 0 | 1 | 0 | 0.88 | 0.06 | 0.82 | 0.1 | 0.64 | 0.25 | 0.41 | 0.57 | 0.36 | 0.68 | 0.27 | 0.92 | 0.22 | 1.09 | 0.19 | 1.26 |
91 | exec - ljForce.c:178-216 [...] | ljForce._omp_fn.1 | InBetween | 0.36 | 0.36 | 0.37 | 0.34 | 0.35 | 0.34 | 0.31 | 0.30 | 0.31 | 95.03 | 94.66 | 94.09 | 92.37 | 88.81 | 88.04 | 85.86 | 84.00 | 82.75 | 1.19 | 0.65 | 0.36 | 0.16 | 0.12 | 0.09 | 0.08 | 0.10 | 0.06 | 300.66 | 150.28 | 75.40 | 38.03 | 19.19 | 17.37 | 13.93 | 11.70 | 11.06 | 1.14 | 0.57 | 0.30 | 0.15 | 0.09 | 0.08 | 0.06 | 0.05 | 0.05 | 300.75 | 151.79 | 77.78 | 40.69 | 21.85 | 20.02 | 16.09 | 13.14 | 12.33 | 2 | 4 | 8 | 16 | 32 | 36 | 48 | 64 | 72 | 10.94 | 21.70 | 40.54 | 83.37 | 146.64 | 164.52 | 211.33 | 267.72 | 272.99 | 0 | 7.14 | 1.64 | 1 | 15.55 | 1.04 | 1.16 | 1.22 | 1.15 | 1.62 | 1.4 | 1.7 | 2.6 | 1.78 | NA | NA | NA | NA | NA | 1 | 0 | 1 | 0 | 0.94 | 0.02 | 0.95 | 0.02 | 0.83 | 0.06 | 0.83 | 0.06 | 0.82 | 0.06 | 0.76 | 0.07 | 0.69 | 0.1 |
104 | exec - timestep.c:88-94 | advancePosition._omp_fn.0 | Innermost | 0.36 | 0.39 | 0.44 | 0.52 | 0.77 | 0.80 | 0.90 | 0.96 | 1.00 | 0.36 | 0.39 | 0.44 | 0.52 | 0.77 | 0.80 | 0.90 | 0.96 | 1.00 | 1.13 | 0.64 | 0.39 | 0.26 | 0.22 | 0.19 | 0.17 | 0.21 | 0.16 | 1.13 | 0.64 | 0.39 | 0.26 | 0.22 | 0.19 | 0.17 | 0.21 | 0.16 | 1.13 | 0.63 | 0.36 | 0.23 | 0.19 | 0.18 | 0.17 | 0.15 | 0.15 | 1.13 | 0.63 | 0.36 | 0.23 | 0.19 | 0.18 | 0.17 | 0.15 | 0.15 | 2 | 4 | 8 | 16 | 32 | 36 | 48 | 64 | 72 | 2.93 | 5.26 | 8.85 | 13.75 | 16.85 | 17.69 | 18.96 | 21.71 | 22.01 | 0 | 12.5 | 1 | 1.12 | 2 | 1 | 1.04 | 1.09 | 1.22 | 1.37 | 1.2 | 1.29 | 1.68 | 1.31 | 1 | 1 | 4 | 0 | 0 | 1 | 0 | 0.9 | 0.04 | 0.78 | 0.1 | 0.61 | 0.2 | 0.37 | 0.49 | 0.34 | 0.53 | 0.28 | 0.65 | 0.24 | 0.73 | 0.21 | 0.79 |
105 | exec - timestep.c:71-78 | advanceVelocity._omp_fn.0 | Outermost | 0.33 | 0.31 | 0.37 | 0.48 | 0.72 | 0.70 | 0.77 | 0.79 | 0.82 | 0.61 | 0.66 | 0.71 | 0.93 | 1.45 | 1.50 | 1.62 | 1.64 | 1.67 | 1.06 | 0.53 | 0.33 | 0.24 | 0.22 | 0.21 | 0.18 | 0.18 | 0.16 | 1.95 | 1.07 | 0.61 | 0.42 | 0.35 | 0.33 | 0.28 | 0.28 | 0.26 | 1.05 | 0.50 | 0.30 | 0.21 | 0.18 | 0.16 | 0.14 | 0.12 | 0.12 | 1.93 | 1.06 | 0.59 | 0.41 | 0.36 | 0.34 | 0.30 | 0.26 | 0.25 | 2 | 4 | 8 | 16 | 32 | 36 | 48 | 64 | 72 | 2.18 | 4.77 | 7.77 | 11.10 | 13.41 | 14.84 | 17.04 | 19.13 | 19.04 | 28.35 | 21.11 | 1.25 | 1.24 | 5.43 | 1.02 | 1.07 | 1.1 | 1.22 | 1.48 | 1.56 | 1.54 | 1.73 | 1.65 | NA | NA | NA | NA | NA | 1 | 0 | 1.04 | 0 | 0.86 | 0.05 | 0.62 | 0.18 | 0.37 | 0.45 | 0.36 | 0.45 | 0.3 | 0.54 | 0.26 | 0.58 | 0.24 | 0.63 |
107 | exec - timestep.c:74-76 | advanceVelocity._omp_fn.0 | Innermost | 0.28 | 0.35 | 0.34 | 0.45 | 0.73 | 0.80 | 0.85 | 0.84 | 0.85 | 0.28 | 0.35 | 0.34 | 0.45 | 0.73 | 0.80 | 0.85 | 0.84 | 0.85 | 0.90 | 0.59 | 0.29 | 0.22 | 0.21 | 0.21 | 0.18 | 0.17 | 0.17 | 0.90 | 0.59 | 0.29 | 0.22 | 0.21 | 0.21 | 0.18 | 0.17 | 0.17 | 0.89 | 0.56 | 0.28 | 0.20 | 0.18 | 0.18 | 0.16 | 0.13 | 0.13 | 0.89 | 0.56 | 0.28 | 0.20 | 0.18 | 0.18 | 0.16 | 0.13 | 0.13 | 2 | 4 | 8 | 16 | 32 | 36 | 48 | 64 | 72 | 2.84 | 4.30 | 8.67 | 12.47 | 13.43 | 13.15 | 14.50 | 18.02 | 18.58 | 100 | 50 | 1 | 1 | 2 | 1.01 | 1.07 | 1.07 | 1.21 | 1.32 | 1.38 | 1.36 | 1.58 | 1.73 | 0 | 1 | 2 | 0 | 0 | 1 | 0 | 0.79 | 0.07 | 0.79 | 0.07 | 0.57 | 0.19 | 0.31 | 0.5 | 0.27 | 0.58 | 0.23 | 0.65 | 0.21 | 0.67 | 0.19 | 0.69 |
103 | exec - timestep.c:88-94 | advancePosition._omp_fn.0 | Outermost | 0.17 | 0.16 | 0.18 | 0.22 | 0.31 | 0.32 | 0.33 | 0.32 | 0.32 | 0.53 | 0.55 | 0.62 | 0.74 | 1.08 | 1.12 | 1.23 | 1.28 | 1.32 | 0.54 | 0.26 | 0.19 | 0.11 | 0.09 | 0.10 | 0.08 | 0.09 | 0.09 | 1.66 | 0.90 | 0.52 | 0.34 | 0.29 | 0.24 | 0.23 | 0.26 | 0.21 | 0.53 | 0.25 | 0.15 | 0.10 | 0.08 | 0.07 | 0.06 | 0.05 | 0.05 | 1.66 | 0.88 | 0.51 | 0.33 | 0.27 | 0.25 | 0.23 | 0.20 | 0.20 | 2 | 4 | 8 | 16 | 32 | 36 | 48 | 64 | 72 | 1.28 | 2.75 | 5.16 | 8.65 | 10.26 | 10.44 | 12.72 | 14.98 | 15.11 | 0 | 12.32 | 1.26 | 1.43 | 2.63 | 1.01 | 1.05 | 1.34 | 1.3 | 1.36 | 1.73 | 1.49 | 2.19 | 2.34 | NA | NA | NA | NA | NA | 1 | 0 | 1.06 | 0 | 0.89 | 0.02 | 0.69 | 0.07 | 0.43 | 0.18 | 0.41 | 0.19 | 0.35 | 0.21 | 0.33 | 0.22 | 0.3 | 0.23 |
36 | exec - haloExchange.c:380-390 | loadAtomsBuffer | Innermost | 0.10 | 0.11 | 0.10 | 0.10 | 0.09 | 0.09 | 0.08 | 0.08 | 0.08 | 0.10 | 0.11 | 0.10 | 0.10 | 0.09 | 0.09 | 0.08 | 0.08 | 0.08 | 0.34 | 0.36 | 0.33 | 0.34 | 0.31 | 0.34 | 0.37 | 0.34 | 0.37 | 0.34 | 0.36 | 0.33 | 0.34 | 0.31 | 0.34 | 0.37 | 0.34 | 0.37 | 0.31 | 0.18 | 0.08 | 0.04 | 0.02 | 0.02 | 0.02 | 0.01 | 0.01 | 0.31 | 0.18 | 0.08 | 0.04 | 0.02 | 0.02 | 0.02 | 0.01 | 0.01 | 2 | 2 | 2 | 2 | 2 | 2 | 2 | 2 | 2 | 0.47 | 0.85 | 1.54 | 3.04 | 6.94 | 6.45 | 8.23 | 10.59 | 11.66 | 0 | 11.25 | 1.07 | 1.2 | 5.49 | 1.07 | 1.04 | 1.03 | 1.03 | 1.02 | 1.09 | 1.2 | 1.01 | 1.1 | 1 | 4 | 2 | 0 | 0 | 1 | 0 | 0.88 | 0.01 | 0.95 | 0.01 | 0.88 | 0.01 | 0.87 | 0.01 | 0.84 | 0.01 | 0.82 | 0.02 | 0.76 | 0.02 | 0.74 | 0.02 |
59 | exec - haloExchange.c:633-642 | sortAtomsInCell | Single | 0.09 | 0.10 | 0.08 | 0.08 | 0.09 | 0.06 | 0.09 | 0.08 | 0.07 | 0.09 | 0.10 | 0.08 | 0.08 | 0.09 | 0.06 | 0.09 | 0.08 | 0.07 | 0.29 | 0.18 | 0.08 | 0.05 | 0.04 | 0.03 | 0.04 | 0.03 | 0.02 | 0.29 | 0.18 | 0.08 | 0.05 | 0.04 | 0.03 | 0.04 | 0.03 | 0.02 | 0.28 | 0.16 | 0.06 | 0.04 | 0.02 | 0.01 | 0.02 | 0.01 | 0.01 | 0.28 | 0.16 | 0.06 | 0.04 | 0.02 | 0.01 | 0.02 | 0.01 | 0.01 | 2 | 4 | 8 | 16 | 31 | 34 | 44 | 57 | 63 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 10.94 | 1.33 | 1 | 4.57 | 1.04 | 1.1 | 1.36 | 1.6 | 1.85 | 2.29 | 2.26 | 2.65 | 2.67 | 0 | 2 | 4 | 0 | 0 | 1 | 0 | 0.86 | 0.01 | 1.07 | 0 | 0.93 | 0.01 | 0.81 | 0.02 | 1.04 | -0 | 0.65 | 0.03 | 0.7 | 0.02 | 0.74 | 0.02 |
110 | exec - timestep.c:110-116 | kineticEnergy._omp_fn.0 | Innermost | 0.03 | 0.03 | 0.04 | 0.05 | 0.04 | 0.07 | 0.06 | 0.07 | 0.06 | 0.03 | 0.03 | 0.04 | 0.05 | 0.04 | 0.07 | 0.06 | 0.07 | 0.06 | 0.11 | 0.07 | 0.04 | 0.03 | 0.02 | 0.03 | 0.02 | 0.03 | 0.03 | 0.11 | 0.07 | 0.04 | 0.03 | 0.02 | 0.03 | 0.02 | 0.03 | 0.03 | 0.10 | 0.05 | 0.03 | 0.02 | 0.01 | 0.02 | 0.01 | 0.01 | 0.01 | 0.10 | 0.05 | 0.03 | 0.02 | 0.01 | 0.02 | 0.01 | 0.01 | 0.01 | 2 | 4 | 8 | 16 | 32 | 36 | 48 | 64 | 72 | 3.53 | 6.86 | 12.38 | 17.60 | 40.80 | 21.75 | 33.86 | 34.87 | 41.84 | 0 | 12.5 | 1 | 1.94 | 2 | 1.07 | 1.27 | 1.6 | 1.33 | 2.61 | 1.8 | 2.23 | 2.88 | 5.2 | 1 | 1 | 2 | 0 | 0 | 1 | 0 | 0.99 | 0 | 0.88 | 0 | 0.63 | 0.02 | 0.72 | 0.01 | 0.35 | 0.05 | 0.39 | 0.04 | 0.3 | 0.05 | 0.34 | 0.04 |
92 | exec - ljForce.c:175-216 [...] | ljForce._omp_fn.1 | Outermost | 0.03 | 0.03 | 0.03 | 0.03 | 0.03 | 0.02 | 0.02 | 0.02 | 0.02 | 95.05 | 94.68 | 94.12 | 92.40 | 88.84 | 88.06 | 85.88 | 84.02 | 82.78 | 0.09 | 0.06 | 0.03 | 0.02 | 0.02 | 0.02 | 0.01 | 0.02 | 0.01 | 300.73 | 150.33 | 75.44 | 38.04 | 19.19 | 17.37 | 13.94 | 11.70 | 11.06 | 0.08 | 0.04 | 0.02 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | 0.00 | 300.83 | 151.84 | 77.80 | 40.70 | 21.86 | 20.02 | 16.09 | 13.14 | 12.33 | 2 | 4 | 8 | 16 | 32 | 36 | 48 | 64 | 72 | 9.60 | 17.97 | 33.70 | 57.69 | 118.28 | 144.87 | 173.46 | 222.29 | 241.01 | NA | NA | NA | NA | NA | 1.13 | 1.45 | 1.65 | 1.64 | 3.66 | 4.5 | 4.24 | 5.33 | 3.89 | NA | NA | NA | NA | NA | 1 | 0 | 0.96 | 0 | 0.91 | 0 | 0.76 | 0.01 | 0.79 | 0.01 | 0.84 | 0 | 0.76 | 0.01 | 0.73 | 0.01 | 0.69 | 0.01 |
102 | exec - random.c:26-48 [...] | gasdev | Single | 0.02 | 0.02 | 0.03 | 0.01 | 0.02 | 0.02 | 0.01 | 0.02 | 0.03 | 0.02 | 0.02 | 0.03 | 0.01 | 0.02 | 0.02 | 0.01 | 0.02 | 0.03 | 0.05 | 0.04 | 0.03 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.05 | 0.04 | 0.03 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.05 | 0.03 | 0.02 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | 0.00 | 0.05 | 0.03 | 0.02 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | 0.00 | 2 | 4 | 8 | 16 | 32 | 36 | 42 | 58 | 63 | 1.10 | 1.29 | 1.93 | 7.88 | 8.71 | 9.62 | 22.40 | 21.23 | 13.27 | 0 | 12.5 | 1 | 2.19 | 8 | 1 | 1.04 | 1.51 | 1.68 | 2.91 | 2.12 | 4.67 | 4 | 2.86 | NA | NA | NA | NA | NA | 1 | 0 | 0.73 | 0.01 | 0.52 | 0.01 | 0.98 | 0 | 0.52 | 0.01 | 0.5 | 0.01 | 0.9 | 0 | 0.56 | 0.01 | 0.36 | 0.02 |
72 | exec - initAtoms.c:39-46 [...] | initAtoms | Single | 0.02 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.02 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.05 | 0.05 | 0.05 | 0.04 | 0.05 | 0.05 | 0.05 | 0.04 | 0.05 | 0.05 | 0.05 | 0.05 | 0.04 | 0.05 | 0.05 | 0.05 | 0.04 | 0.05 | 0.05 | 0.02 | 0.01 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.05 | 0.02 | 0.01 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 2 | 2 | 2 | 2 | 2 | 2 | 2 | 2 | 2 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 100 | 50 | 1 | 1 | 1 | 1.05 | 1.05 | 1.05 | 1 | 1 | 1.05 | 1.05 | 1.06 | 1.05 | 0 | 5 | 1 | 0 | 0 | 1 | 0 | 0.99 | 0 | 0.97 | 0 | 0.98 | 0 | 0.91 | 0 | 0.84 | 0 | 0.81 | 0 | 0.91 | 0 | 0.8 | 0 |